Basic information
- Standard SMILES
COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3C=[N+]2C)C(C)C)cc1OC- InChIKey
OGNPEZGMWRPPQG-UHFFFAOYSA-N- Molecular formula
- C28H37N2O4+
- Average molar mass
- 465.6 g/mol
Names & identifiers
- Preferred name
- 5-(6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
- IUPAC
- 5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
Database identifiers
- PubChem CID
- 20202212
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 1
- Complexity
- 731
Related reactions
2 records
Compound notes
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